1-benzyl-7-[(4-fluorophenyl)methylamino]-2,3-dimethylpyrrolo[2,3-c]pyridine-5-carboxamide;hydrochloride

C24H24ClFN4O — CID 67142013

IUPAC1-benzyl-7-[(4-fluorophenyl)methylamino]-2,3-dimethylpyrrolo[2,3-c]pyridine-5-carboxamide;hydrochloride
SMILESCc1c(C)n(Cc2ccccc2)c2c(NCc3ccc(F)cc3)nc(C(N)=O)cc12.Cl
InChIInChI=1S/C24H23FN4O.ClH/c1-15-16(2)29(14-18-6-4-3-5-7-18)22-20(15)12-21(23(26)30)28-24(22)27-13-17-8-10-19(25)11-9-17;/h3-12H,13-14H2,1-2H3,(H2,26,30)(H,27,28);1H
InChIKeyIMSOERHZMMKRSJ-UHFFFAOYSA-N
MW438.93 g/mol
LogP4.97
Rot. Bonds6

About 1-benzyl-7-[(4-fluorophenyl)methylamino]-2,3-dimethylpyrrolo[2,3-c]pyridine-5-carboxamide;hydrochloride

1-benzyl-7-[(4-fluorophenyl)methylamino]-2,3-dimethylpyrrolo[2,3-c]pyridine-5-carboxamide;hydrochloride (PubChem CID 67142013) has the molecular formula C24H24ClFN4O and a molecular weight of 438.93 g/mol. Its IUPAC name is 1-benzyl-7-[(4-fluorophenyl)methylamino]-2,3-dimethylpyrrolo[2,3-c]pyridine-5-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-benzyl-7-[(4-fluorophenyl)methylamino]-2,3-dimethylpyrrolo[2,3-c]pyridine-5-carboxamide;hydrochloride
PubChem CID67142013
Molecular FormulaC24H24ClFN4O
Molecular Weight438.93 g/mol
Exact Mass438.16
IUPAC Name1-benzyl-7-[(4-fluorophenyl)methylamino]-2,3-dimethylpyrrolo[2,3-c]pyridine-5-carboxamide;hydrochloride
SMILESCc1c(C)n(Cc2ccccc2)c2c(NCc3ccc(F)cc3)nc(C(N)=O)cc12.Cl
InChIInChI=1S/C24H23FN4O.ClH/c1-15-16(2)29(14-18-6-4-3-5-7-18)22-20(15)12-21(23(26)30)28-24(22)27-13-17-8-10-19(25)11-9-17;/h3-12H,13-14H2,1-2H3,(H2,26,30)(H,27,28);1H
InChIKeyIMSOERHZMMKRSJ-UHFFFAOYSA-N
XLogP4.97
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.93
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[1-benzyl-7-[(4-fluorophenyl)methylamino]-2,3-dimethylpyrrolo[2,3-c]pyridin-5-yl]-piperidin-1-ylmethanone;hydrochloride
CID 67143084
1-benzyl-5-chloro-N-[(4-fluorophenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridin-7-amine;hydrochloride
CID 86615270
N,1-bis[(4-fluorophenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridin-7-amine;hydrochloride
CID 67141660
1-benzyl-N-[(4-fluorophenyl)methyl]-2,3-dimethylpyrrolo[3,2-b]pyridin-7-amine;hydrochloride
CID 68704838
[1-benzyl-7-[(4-fluorophenyl)methylamino]-2,3-dimethylindol-5-yl]-(4-methylpiperazin-1-yl)methanone
CID 142593241
N-[(4-chlorophenyl)methyl]-1-[(4-fluorophenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridin-7-amine
CID 67141556
N-benzyl-1-[(4-tert-butylphenyl)methyl]-2,3-dimethylpyrrolo[2,3-c]pyridin-7-amine
CID 67141610
N-benzyl-2,3-dimethyl-1-[(3-methylphenyl)methyl]pyrrolo[2,3-c]pyridin-7-amine;hydrochloride
CID 67140950
1-[(3-chlorophenyl)methyl]-7-(3,4-dihydro-1H-isoquinolin-2-yl)-2,3-dimethylpyrrolo[2,3-c]pyridine-5-carboxamide
CID 67142774
4-N-[1-[(4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]quinoline-2,4-dicarboxamide
CID 118191373
1-(cyclopropylmethyl)-7-[(2,6-dimethylphenyl)methylamino]-2,3-dimethylpyrrolo[2,3-c]pyridine-5-carboxylic acid
CID 178179413
1-benzyl-4-(benzylamino)-2-oxo-3H-imidazo[4,5-c]pyridine-6-carboxylic acid
CID 67453942

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-7-[(4-fluorophenyl)methylamino]-2,3-dimethylpyrrolo[2,3-c]pyridine-5-carboxamide;hydrochloride?
The IUPAC name of 1-benzyl-7-[(4-fluorophenyl)methylamino]-2,3-dimethylpyrrolo[2,3-c]pyridine-5-carboxamide;hydrochloride (CID 67142013) is 1-benzyl-7-[(4-fluorophenyl)methylamino]-2,3-dimethylpyrrolo[2,3-c]pyridine-5-carboxamide;hydrochloride.
What is the SMILES notation for 1-benzyl-7-[(4-fluorophenyl)methylamino]-2,3-dimethylpyrrolo[2,3-c]pyridine-5-carboxamide;hydrochloride?
The canonical SMILES for 1-benzyl-7-[(4-fluorophenyl)methylamino]-2,3-dimethylpyrrolo[2,3-c]pyridine-5-carboxamide;hydrochloride is Cc1c(C)n(Cc2ccccc2)c2c(NCc3ccc(F)cc3)nc(C(N)=O)cc12.Cl.
What is the InChIKey of 1-benzyl-7-[(4-fluorophenyl)methylamino]-2,3-dimethylpyrrolo[2,3-c]pyridine-5-carboxamide;hydrochloride?
The InChIKey is IMSOERHZMMKRSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O.ClH/c1-15-16(2)29(14-18-6-4-3-5-7-18)22-20(15)12-21(23(26)30)28-24(22)27-13-17-8-10-19(25)11-9-17;/h3-12H,13-14H2,1-2H3,(H2,26,30)(H,27,28);1H.
What are the key properties of 1-benzyl-7-[(4-fluorophenyl)methylamino]-2,3-dimethylpyrrolo[2,3-c]pyridine-5-carboxamide;hydrochloride?
1-benzyl-7-[(4-fluorophenyl)methylamino]-2,3-dimethylpyrrolo[2,3-c]pyridine-5-carboxamide;hydrochloride has a molecular weight of 438.93 g/mol, XLogP of 4.97, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-7-[(4-fluorophenyl)methylamino]-2,3-dimethylpyrrolo[2,3-c]pyridine-5-carboxamide;hydrochloride is sourced from PubChem (CID 67142013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).